3-cyclohexyl-1-methylindazole-6-sulfonamide

C14H19N3O2S — CID 23117105

IUPAC3-cyclohexyl-1-methylindazole-6-sulfonamide
SMILESCn1nc(C2CCCCC2)c2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H19N3O2S/c1-17-13-9-11(20(15,18)19)7-8-12(13)14(16-17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,15,18,19)
InChIKeyYIUQFZYIXSVJMF-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.27
Rot. Bonds2

About 3-cyclohexyl-1-methylindazole-6-sulfonamide

3-cyclohexyl-1-methylindazole-6-sulfonamide (PubChem CID 23117105) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-methylindazole-6-sulfonamide.

Molecular Properties

Compound Name3-cyclohexyl-1-methylindazole-6-sulfonamide
PubChem CID23117105
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-cyclohexyl-1-methylindazole-6-sulfonamide
SMILESCn1nc(C2CCCCC2)c2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H19N3O2S/c1-17-13-9-11(20(15,18)19)7-8-12(13)14(16-17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,15,18,19)
InChIKeyYIUQFZYIXSVJMF-UHFFFAOYSA-N
XLogP2.27
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methylindazole-6-sulfonamide?
The IUPAC name of 3-cyclohexyl-1-methylindazole-6-sulfonamide (CID 23117105) is 3-cyclohexyl-1-methylindazole-6-sulfonamide.
What is the SMILES notation for 3-cyclohexyl-1-methylindazole-6-sulfonamide?
The canonical SMILES for 3-cyclohexyl-1-methylindazole-6-sulfonamide is Cn1nc(C2CCCCC2)c2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of 3-cyclohexyl-1-methylindazole-6-sulfonamide?
The InChIKey is YIUQFZYIXSVJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-17-13-9-11(20(15,18)19)7-8-12(13)14(16-17)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,15,18,19).
What are the key properties of 3-cyclohexyl-1-methylindazole-6-sulfonamide?
3-cyclohexyl-1-methylindazole-6-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methylindazole-6-sulfonamide is sourced from PubChem (CID 23117105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).